sodium 3-(4-methyl-2-nitro-phenoxy)propane-1-sulfonate

Systemtic Name: sodium 3-(4-methyl-2-nitro-phenoxy)propane-1-sulfonate Openeye Name: sodium 3-(4-methyl-2-nitro-phenoxy)propane-1-sulfonate CAS Name: sodium 3-(4-methyl-2-nitrophenoxy)-1-propanesulfonate IUPAC Name: sodium 3-(4-methyl-2-nitrophenoxy)propane-1-sulfonate Traditional Name: sodium 3-(4-methyl-2-nitro-phenoxy)propane-1-sulfonate Formula: C10H12NNaO6S MolecularWeight: 297.26015

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCS(=O)(=O)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCS(=O)(=O)[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C10H13NO6S.Na/c1-8-3-4-10(9(7-8)11(12)13)17-5-2-6-18(14,15)16;/h3-4,7H,2,5-6H2,1H3,(H,14,15,16);/q;+1/p-1